Glyphosate
C3H8NO5P
1071-83-6 Copyright (C) 2026 ACS
 10  9  0  0  0  0  0  0  0  0999 V2000
    2.6675    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    2.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    0.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <cas.rn>
1071-83-6

> <ca.index.name>
Glycine, N-(phosphonomethyl)-

> <molecular.formula>
C3H8NO5P

> <smiles.canonical>
O=C(O)CNCP(=O)(O)O

> <molecular.weight>
169.07

> <melting.point.experimental>
230 °C (decomp)

> <boiling.point.predicted>
465.835±55.00 °C    Press: 760.00 Torr

> <density.experimental>
0.5 g/cm³

> <pka.experimental>
5.6 (pKa2)

$$$$
